SCHEMBL24933540

SCHEMBL24933540

C/C=C(\C=N)C(=O)Nc1cncc(-n2nc(Nc3ccc(N)c(C=N)c3Cl)c3ccccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ CYP11B2 P19099 2/20 0.31
▸ CYP11B1 P15538 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24934157 0.85 RORC (0.35) RORCRIPK1
SCHEMBL24934049 0.82 RORC (0.32) RORC
SCHEMBL24934290 0.73 RORC (0.36) RORC
SCHEMBL24934038 0.72 — —
SCHEMBL24933966 0.70 — —
SCHEMBL24933525 0.70 RORC (0.33) RORC
SCHEMBL24934159 0.68 RORC (0.38) RORC
SCHEMBL24933684 0.67 KIT (0.30) RORC
SCHEMBL29218162 0.66 ROCK1 (0.40) —
SCHEMBL30162925 0.66 ROCK1 (0.40) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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